CDS email message - CDS/15/11/10/a

Sent 15 Nov 2010

ARChem Trial

ARChem - Retrosynthetic Route Designer
CDS are running a free trial of this retrosynthesis tool until the end of
December.
A major new version of ARChem has been released today which has:
- Better chemistry: improved clustering of the reaction examples into
rules.
- New solution viewing concept: the user is in control of selecting the
best solution(s). The display is a hybrid between step-by-step solution
construction, and full synthetic route presentation.
- Faster solution review.
- The user can add or edit the price of any starting material or
intermediate, and modify the yield of any step in the solution tree.
- Recalculate-score feature to apply yield and costs changes as well as
user-defined filters to the ranking of the solutions space.
The new release is in Beta-testing mode until Dec 1, thus issues may be found
but should be fixed quickly in this focused beta-testing period.
ARChem also invite you to one of the following two webinar sessions about the new system:
Session 1: Tue., Nov 16, 10 am EST / 3 pm GMT
Session 2: Tue., Nov 30, 10 am EST / 3 pm GMT
Please register for one of them by e-mailing Aniko Simon
indicating the webinar you would like to attend.
Further details can be obtained from CDS or by looking at:
http://cds.dl.ac.uk/cds/datasets/orgchem/archem/archem.html